SCHEMBL12432186

SCHEMBL12432186

CN(C(=O)CF)C1Cc2ccc(C(=O)CCl)cc2C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MCHR1 Q99705 12/20 0.37
POLB P06746 1/20 0.36
KCNH2 Q12809 2/20 0.36
HTR2C P28335 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
SMYD3 Q9H7B4 2/20 0.35
GSK3B P49841 1/20 0.34
TBXA2R P21731 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2310619 0.84 ALDH1A1 (0.37) ALDH1A1MAPTSMN1; SMN2MCHR1POLB
SCHEMBL13987235 0.72 MCHR1 (0.40) MCHR1KDM4E
SCHEMBL12387508 0.71 MCHR1 (0.38) MCHR1KCNH2HTR2C
SCHEMBL9505596 0.70 CA1 (0.55) ALDH1A1MAPTSMN1; SMN2MCHR1POLB
Hydrochloric Acid SCHEMBL2309049 0.70 MCHR1 (0.37) MCHR1KCNH2HTR2C
SCHEMBL13988036 0.68 HSD17B3 (0.44) MCHR1
SCHEMBL2315501 0.68 MCHR1 (0.36) MCHR1KCNH2HTR2C
SCHEMBL5737230 0.68 CA1 (0.42) ALDH1A1MAPTSMN1; SMN2MCHR1KDM4E
SCHEMBL14692395 0.67 GSK3B (0.50) ALDH1A1MAPTSMN1; SMN2POLBKDM4E
SCHEMBL11679626 0.66 MAPT (0.58) ALDH1A1MAPTSMN1; SMN2KCNH2HTR2C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989445-B2 Thienopyrimidone compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-02 US disclosed
US-20100069362-A1 Thienopyrimidone compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100069362-A1 Thienopyrimidone compound MC1R, MC2R, MC5R ALDH1A1 831/4885MAPT 4358/4885SMN1; SMN2 3933/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.